4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide

C14H17N3O3S — CID 146146375

IUPAC4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
SMILESCC(C1CC1)N(C)S(=O)(=O)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O3S/c1-10(12-7-8-12)17(2)21(19,20)16-14(18)13-5-3-11(9-15)4-6-13/h3-6,10,12H,7-8H2,1-2H3,(H,16,18)
InChIKeyWOSSXFGRXWIYSO-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.26
Rot. Bonds5

About 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide

4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide (PubChem CID 146146375) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
PubChem CID146146375
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide
SMILESCC(C1CC1)N(C)S(=O)(=O)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O3S/c1-10(12-7-8-12)17(2)21(19,20)16-14(18)13-5-3-11(9-15)4-6-13/h3-6,10,12H,7-8H2,1-2H3,(H,16,18)
InChIKeyWOSSXFGRXWIYSO-UHFFFAOYSA-N
XLogP1.26
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]sulfonyl-4-cyanobenzamide
CID 97351290
4-cyano-N-methylsulfonylbenzamide
CID 47232721
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
4-[2-[1-cyclopropylethyl(methyl)amino]ethylsulfonyl]benzonitrile
CID 79506980
4-[2-[1-cyclopropylethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 43569122
N-(4-cyanophenyl)sulfonyl-4-(cyclopropylmethoxy)benzamide
CID 47568459
4-(4-methyl-3-oxopentanoyl)benzonitrile
CID 63319773
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide (CID 146146375) is 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide is CC(C1CC1)N(C)S(=O)(=O)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide?
The InChIKey is WOSSXFGRXWIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(12-7-8-12)17(2)21(19,20)16-14(18)13-5-3-11(9-15)4-6-13/h3-6,10,12H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide?
4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide has a molecular weight of 307.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-cyclopropylethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 146146375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).